Experimental and theoretical studies of the CCl+O-2 reaction
文献类型：期刊论文
| 作者 | Xiang, Tiancheng; Liu, Kunhui; Shi, Congyun; Su, Hongmei; Kong, Fanao |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2007-03-22 |
| 卷号 | 437期号:1-3页码:8-13 |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2007.01.086 |
| 英文摘要 | Elementary reaction of CCI radical with oxygen molecule has been investigated by time-resolved Fourier transform infrared emission spectroscopy. Product of CO was observed. The rate constant of this reaction is measured to be 2.6(0.4) x 10(-12) cm(3) molecule(-1) s(-1). It is found that the nascent product of CO is highly vibrationally excited with an average vibrational energy of 17-18 kcal mol(-1). DFT calculations at the B3LYP/6-311G(d) level reveal the reaction mechanism to be mainly a barrierless addition of 0, to CCI leading to a peroxide intermediate IMI (CICOO). The chain-like IMI breaks its O-O bond and Cl-C bond sequentially, forming the product of CO. (c) 2007 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000245401200002 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60643]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Su, Hongmei |
| 作者单位 | Chinese Acad Sci, Inst Chem, BNLMS, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiang, Tiancheng,Liu, Kunhui,Shi, Congyun,et al. Experimental and theoretical studies of the CCl+O-2 reaction[J]. CHEMICAL PHYSICS LETTERS,2007,437(1-3):8-13. |
| APA | Xiang, Tiancheng,Liu, Kunhui,Shi, Congyun,Su, Hongmei,&Kong, Fanao.(2007).Experimental and theoretical studies of the CCl+O-2 reaction.CHEMICAL PHYSICS LETTERS,437(1-3),8-13. |
| MLA | Xiang, Tiancheng,et al."Experimental and theoretical studies of the CCl+O-2 reaction".CHEMICAL PHYSICS LETTERS 437.1-3(2007):8-13. |
入库方式： OAI收割
来源：化学研究所
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